BV2DZ3 -OEChem-04022101372D 39 42 0 0 0 0 0 0 0999 V2000 7.2098 -0.6454 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 1.3579 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.6626 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8863 -3.6179 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 -1.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9529 0.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 0.0978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.0531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 2.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8789 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 2.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 3.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5699 -2.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8571 -1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2390 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5262 -1.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2172 -2.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9342 -0.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 2.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1303 3.8095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3491 4.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 3.4264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9634 -2.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0486 -0.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0474 -3.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1326 -1.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 26 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 8 12 2 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 21 2 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 24 1 0 0 0 0 18 32 1 0 0 0 0 19 25 2 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$